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Substance Name: 1-Azabicyclo(2.2.2)octene-3-methanol, benzilate (ester)
RN: 93101-70-3
InChIKey: GNTSUYVDHWLRIS-UHFFFAOYSA-N

Molecular Formula

  • C22-H23-N-O3

Molecular Weight

  • 349.428
 
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Names and Synonyms

Synonyms

  • 3-(Azabicyclo(2.2.2)oct-2-ene)methyl benzilate
  • Benzilic acid, 1-azabicyclo(2.2.2)octene-3-methyl ester

Systematic Name

  • 1-Azabicyclo(2.2.2)octene-3-methanol, benzilate (ester)

Registry Numbers

CAS Registry Number

  • 93101-70-3

System Generated Number

  • 0093101703

Structure Descriptors

InChI

1S/C22H23NO3/c24-21(26-16-18-15-23-13-11-17(18)12-14-23)22(25,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,15,17,25H,11-14,16H2

InChIKey

GNTSUYVDHWLRIS-UHFFFAOYSA-N

Smiles

C(c1ccccc1)(c1ccccc1)(C(OCC=1C2CCN(C1)CC2)=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11892,